3-(3-cyclopentyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid

C12H19NO4 — CID 117011098

IUPAC3-(3-cyclopentyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid
SMILESO=C(O)CCC1CCN(C2CCCC2)C(=O)O1
InChIInChI=1S/C12H19NO4/c14-11(15)6-5-10-7-8-13(12(16)17-10)9-3-1-2-4-9/h9-10H,1-8H2,(H,14,15)
InChIKeyOEJXMFQNGPWGEP-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.00
Rot. Bonds4

About 3-(3-cyclopentyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid

3-(3-cyclopentyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid (PubChem CID 117011098) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(3-cyclopentyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-cyclopentyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid
PubChem CID117011098
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name3-(3-cyclopentyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid
SMILESO=C(O)CCC1CCN(C2CCCC2)C(=O)O1
InChIInChI=1S/C12H19NO4/c14-11(15)6-5-10-7-8-13(12(16)17-10)9-3-1-2-4-9/h9-10H,1-8H2,(H,14,15)
InChIKeyOEJXMFQNGPWGEP-UHFFFAOYSA-N
XLogP2.00
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid?
The IUPAC name of 3-(3-cyclopentyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid (CID 117011098) is 3-(3-cyclopentyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid.
What is the SMILES notation for 3-(3-cyclopentyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid?
The canonical SMILES for 3-(3-cyclopentyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid is O=C(O)CCC1CCN(C2CCCC2)C(=O)O1.
What is the InChIKey of 3-(3-cyclopentyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid?
The InChIKey is OEJXMFQNGPWGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c14-11(15)6-5-10-7-8-13(12(16)17-10)9-3-1-2-4-9/h9-10H,1-8H2,(H,14,15).
What are the key properties of 3-(3-cyclopentyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid?
3-(3-cyclopentyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid has a molecular weight of 241.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid is sourced from PubChem (CID 117011098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).